{"ymdb_id":"YMDB02320","created_at":"2012-06-08T21:52:02.000Z","updated_at":"2016-09-08T18:37:50.000Z","name":"Dehydroergosterol","cas":"516-85-8","state":"Solid","melting_point":"146 oC","description":"Dehydroergosterol is a sterol naturally found in yeast. It is commonly used as a fluorescent compound in the study of membranes.  ","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"92788","cs_id":"4941283","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,5S,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),7,9-trien-5-ol","traditional_iupac":"(2S,5S,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),7,9-trien-5-ol","logp":"6.226827507666666","pka":null,"alogps_solubility":"6.81e-04 g/l","alogps_logp":"7.50","alogps_logs":"-5.76","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"4","polar_surface_area":"20.23","refractivity":"127.98169999999998","polarizability":"50.567393609690214","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.339087034411687","pka_strongest_acidic":"18.337249578391205","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["delta(5,7,9(11)22)-Ergostatetraen-3-ol","Ergosta-5,7,9(11),22-tetraen-3 beta-ol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}